Fmoc-PNA-C(Bhoc)-OH - ≥95% , CAS No.186046-81-1

CAS: 186046-81-1 Cat. No.: F464603 Peso molecular: 701.74

GRADE & PURITY ≥95%

Synonyms

Fmoc-PNA-C(Bhoc)-OH|186046-81-1|2-(N-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethyl)-2-(4-(((benzhydryloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetamido)acetic acid|MFCD22373799|2-[[2-[4-(benzhydryloxycarbonylamino)-2-oxopyrimidin-1-yl]acetyl]-[2

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Fmoc-PNA-C(Bhoc)-OH | 186046-81-1 | 2-(N-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethyl)-2-(4-(((benzhydryloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetamido)acetic acid | MFCD22373799 | 2-[[2-[4-(benzhydryloxycarbonylamino)-2-oxopyrimidin-1-yl]acetyl]-[2

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488198906
• Sonrisas canónicas: C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)NC3=NC(=O)N(C=C3)CC(=O)N(CCNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)CC(=O)O
• IUPAC Name: 2-[[2-[4-(benzhydryloxycarbonylamino)-2-oxopyrimidin-1-yl]acetyl]-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]amino]acetic acid
• InChIKey: YPTOIRLDQISSCH-UHFFFAOYSA-N
• INCHI: 1S/C39H35N5O8/c45-34(23-44-21-19-33(41-37(44)48)42-39(50)52-36(26-11-3-1-4-12-26)27-13-5-2-6-14-27)43(24-35(46)47)22-20-40-38(49)51-25-32-30-17-9-7-15-28(30)29-16-8-10-18-31(29)32/h1-19,21,32,36H,20,22-25H2,(H,40,49)(H,46,47)(H,41,42,48,50)
• Isómeros SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)NC3=NC(=O)N(C=C3)CC(=O)N(CCNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)CC(=O)O
• Peso molecular: 701.74
• Reaxy-Rn: 9031733
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9031733&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: N-acyl-alpha amino acids Diphenylmethanes Benzyloxycarbonyls Pyrimidones Imidolactams Hydropyrimidines Tertiary carboxylic acid amides Carbamate esters Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylmethane - Fluorene - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Pyrimidone - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Hydropyrimidine - Heteroaromatic compound - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Carbonyl group - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: Air&Heat sensitive
• Peso molecular: 701.700 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 15
• Exact Mass: 701.249 Da
• Monoisotopic Mass: 701.249 Da
• Topological Polar Surface Area: 167.000 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 1300.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1